SCHEMBL7053291

SCHEMBL7053291

CC(C(C#N)C(=O)NCCc1ccc(Cl)cc1)[C@@]1(C)CC1(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CNR1 P21554 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7057635 0.79 EPHX1 (0.51) KMT2APOLBLMNAGAAHTT
SCHEMBL8219616 0.73 KMT2A (0.65) KMT2APOLBLMNAGAAHTT
SCHEMBL1952759 0.72 LMNA (0.63) KMT2APOLBLMNAGAAHTT
SCHEMBL7054927 0.71 CNR1 (0.43) KMT2APOLBLMNAGAAHTT
SCHEMBL13801231 0.70 LMNA (0.62) KMT2APOLBLMNAGAAHTT
SCHEMBL22803038 0.70 MEN1 (0.51) KMT2ALMNACYP1A2CYP2D6CYP2C19
SCHEMBL7055022 0.69 GAA (0.47) KMT2APOLBLMNAGAAHTT
SCHEMBL7740585 0.69 GAA (0.44) KMT2APOLBLMNAGAAHTT
SCHEMBL7055824 0.68 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7556339 0.67 ALDH1A1 (0.38) KMT2APOLBLMNAGAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970044-B1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AG (DE) 2003-05-07 EP disclosed
US-6410486-B2 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use WETTERICH FRANK (DE) 2002-02-14 US disclosed
US-6265447-B1 FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-24 US disclosed
EP-0970044-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1998041499-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020019422-A1 Cycloalkylalkanecarboxamides and their preparation and use CBR3, CYCS, CBR1 KMT2A 2102/4885POLB 685/4885LMNA 1204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.